1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine

C13H26N2S — CID 63982662

IUPAC1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine
SMILESCSCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H26N2S/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-11-16-3/h4,13-14H,5-11H2,1-3H3
InChIKeyYTNUGAZTIQZJCV-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.37
Rot. Bonds6

About 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine (PubChem CID 63982662) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine
PubChem CID63982662
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine
SMILESCSCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H26N2S/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-11-16-3/h4,13-14H,5-11H2,1-3H3
InChIKeyYTNUGAZTIQZJCV-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine (CID 63982662) is 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine is CSCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine?
The InChIKey is YTNUGAZTIQZJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-11-16-3/h4,13-14H,5-11H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine has a molecular weight of 242.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(2-methylsulfanylethyl)piperidin-4-amine is sourced from PubChem (CID 63982662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).